5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid

C19H18N2O3 — CID 94962309

IUPAC5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cc(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-12-9-13(2)18(24-3)15(10-12)17-11-16(19(22)23)20-21(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,22,23)
InChIKeyDGNBKHLXJBOSFF-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.86
Rot. Bonds4

About 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid

5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 94962309) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
PubChem CID94962309
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1-c1cc(C(=O)O)nn1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-12-9-13(2)18(24-3)15(10-12)17-11-16(19(22)23)20-21(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,22,23)
InChIKeyDGNBKHLXJBOSFF-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 23934125
1-(4-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 750183
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117474692
5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
CID 118395944
5-(2-chloro-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117416122
2-(2-methoxy-3,5-dimethylphenyl)indolizine-1-carboxylic acid
CID 3657033
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
2-(2-methoxy-3,5-dimethylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 82484966
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid (CID 94962309) is 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid is COc1c(C)cc(C)cc1-c1cc(C(=O)O)nn1-c1ccccc1.
What is the InChIKey of 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is DGNBKHLXJBOSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-9-13(2)18(24-3)15(10-12)17-11-16(19(22)23)20-21(17)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,22,23).
What are the key properties of 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid?
5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,5-dimethylphenyl)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 94962309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).